Vitas-M small molecule compound
3-{[({5-[(2,4-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid
Catalog ID
STL182574
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1COc1ccc(cc1C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H24N4O4S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4S/c1-4-10-27-20(13-31-19-9-8-15(2)11-16(19)3)25-26-23(27)32-14-21(28)24-18-7-5-6-17(12-18)22(29)30/h4-9,11-12H,1,10,13-14H2,2-3H3,(H,24,28)(H,29,30)InChIKey
YWMZVUFVDMKWJW-UHFFFAOYSA-NSynonyms
3((((5((24dimethylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5((24dimethylphenoxy)methyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)O)C
InChI=1SC23H24N4O4Sc14102720(1331199815(2)1116(19)3)252623(27)321421(28)241875617(1218)22(29)30h491112H1101314H223H3(H2428)(H2930)
MFCD22125440
ZINC000072191512
ZINC72191512
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